CID 6481593

1-piperidineacetamide, 4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-4,6-dimethyl-1h-benzimidazol-2-yl]amino]-

Structural Information

Molecular Formula
C23H30N6O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NC4CCN(CC4)CC(=O)N)C)C
InChI
InChI=1S/C23H30N6O2/c1-14-10-15(2)22-19(11-14)29(12-18-20(30)5-4-16(3)25-18)23(27-22)26-17-6-8-28(9-7-17)13-21(24)31/h4-5,10-11,17,30H,6-9,12-13H2,1-3H3,(H2,24,31)(H,26,27)
InChIKey
LAAJGFGAGCLUIU-UHFFFAOYSA-N
Compound name
2-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4,6-dimethylbenzimidazol-2-yl]amino]piperidin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.243 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.25028 206.6
[M+Na]+ 445.23222 213.4
[M-H]- 421.23572 211.0
[M+NH4]+ 440.27682 212.7
[M+K]+ 461.20616 206.1
[M+H-H2O]+ 405.24026 195.1
[M+HCOO]- 467.24120 220.7
[M+CH3COO]- 481.25685 213.4
[M+Na-2H]- 443.21767 204.4
[M]+ 422.24245 205.2
[M]- 422.24355 205.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.